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Chlorothalonil
1897-45-6 | DTXSID0020319

Searched by Approved Name: Found 1 result for 'Chlorothalonil'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C8Cl4N2

Average Mass: 265.9 g/mol

Monoisotopic Mass: 263.881559 g/mol

Structural Identifiers

IUPAC Name: 2,4,5,6-Tetrachlorobenzene-1,3-dicarbonitrile

SMILES: ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl

InChI String: InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14

InChIKey: CRQQGFGUEAVUIL-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID0020319 (accessed April 22, 2018), Chlorothalonil

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

3.05 (1)

3.36 (5)

-

3.13

3.05

2.88 to 4.00

-

Water Solubility

2.26e-06 (1)

3.16e-05 (4)

-

1.31e-05

2.26e-06

2.49e-06 to 9.78e-05

mol/L

Density

-

1.67 (2)

-

1.67

-

1.62 to 1.72

g/cm^3

Flash Point

-

156 (2)

-

156

-

154 to 159

°C

Melting Point

250 (3)

194 (4)

250

206

250 to 251

132 to 232

°C

Boiling Point

350 (1)

347 (5)

-

346

350

340 to 355

°C

Surface Tension

-

51.8 (2)

-

51.8

-

32.3 to 71.2

dyn/cm

Thermal Conductivity

-

122 (1)

- - - -

mW/(m*K)

Vapor Pressure

5.70e-07 (1)

6.62e-05 (4)

-

2.24e-05

5.70e-07

1.01e-06 to 2.19e-04

mmHg

Viscosity

-

2.57 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.49 (1)

- - - - -

Henry's Law

2.00e-06 (1)

3.53e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.63 (1)

- - - - -

Molar Refractivity

-

55.2 (1)

- - - -

cm^3

Molar Volume

-

155 (1)

- - - -

cm^3

Polarizability

-

21.9 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

3.05 (1)

-

3.05

Predicted

3.36 (5)

3.13

2.88 to 4.00

Experimental

Source

Result

PhysPropNCCT

3.05

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.66

Not Available

Not Available

NICEATM

4.00

Not Available

Available

ACD/Labs Consensus

3.12

Not Available

Not Available

ACD/Labs

2.88

Not Available

Not Available

OPERA

3.13

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

2.26e-06 (1)

-

2.26e-06

Predicted

3.16e-05 (4)

1.31e-05

2.49e-06 to 9.78e-05

Experimental

Source

Result

PhysPropNCCT

2.26e-06 mol/L

Predicted

Source

Result

Calculation Details

QMRF

TEST

2.29e-05 mol/L

Not Available

Not Available

EPISUITE

9.78e-05 mol/L

Not Available

Not Available

NICEATM

2.49e-06 mol/L

Not Available

Available

OPERA

3.21e-06 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.67 (2)

1.67

1.62 to 1.72

Predicted

Source

Result

Calculation Details

QMRF

TEST

1.62 g/cm^3

TEST Report

Not Available

ACD/Labs

1.72 g/cm^3

Not Available

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

156 (2)

156

154 to 159

Predicted

Source

Result

Calculation Details

QMRF

TEST

159 °C

TEST Report

Not Available

ACD/Labs

154 °C

Not Available

Not Available

Melting Point

Average

Median

Range

Experimental

250 (3)

250

250 to 251

Predicted

194 (4)

206

132 to 232

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

250 °C

TCI

251 °C

PhysPropNCCT

250 °C

Predicted

Source

Result

Calculation Details

QMRF

TEST

181 °C

Not Available

Not Available

EPISUITE

132 °C

Not Available

Not Available

NICEATM

232 °C

Not Available

Available

OPERA

231 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

350 (1)

-

350

Predicted

347 (5)

346

340 to 355

Experimental

Source

Result

PhysPropNCCT

350 °C

Predicted

Source

Result

Calculation Details

QMRF

TEST

342 °C

TEST Report

Not Available

EPISUITE

355 °C

Not Available

Not Available

NICEATM

346 °C

Not Available

Available

ACD/Labs

351 °C

Not Available

Not Available

OPERA

340 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

51.8 (2)

51.8

32.3 to 71.2

Predicted

Source

Result

Calculation Details

QMRF

TEST

32.3 dyn/cm

Not Available

Not Available

ACD/Labs

71.2 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

122 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

122 mW/(m*K)

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental

5.70e-07 (1)

-

5.70e-07

Predicted

6.62e-05 (4)

2.24e-05

1.01e-06 to 2.19e-04

Experimental

Source

Result

PhysPropNCCT

5.70e-07 mmHg

Predicted

Source

Result

Calculation Details

QMRF

TEST

2.19e-04 mmHg

Not Available

Not Available

NICEATM

1.01e-06 mmHg

Not Available

Available

ACD/Labs

4.36e-05 mmHg

Not Available

Not Available

OPERA

1.29e-06 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

2.57 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

2.57 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.49 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.49

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

2.00e-06 (1)

-

-
Predicted

3.53e-06 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

2.00e-06 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.53e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.63

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

55.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

55.2 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

155 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

155 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

21.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

21.9 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

1820 (1)

2670 (2)

-

2670

1820

1870 to 3480

L/kg

Atmos. Hydroxylation Rate

-

2.84e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.52 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

1.86 (1)

1.27 (1)

- - - -

days

Bioaccumulation Factor

-

104 (1)

- - - - -

Bioconcentration Factor

63.1 (1)

71.3 (5)

-

74.0

63.1

44.2 to 104

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

1820 (1)

-

1820

Predicted

2670 (2)

2670

1870 to 3480

Experimental

Source

Result

PhysPropNCCT

1820 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3480 L/kg

Not Available

Not Available

OPERA

1870 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

2.84e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.84e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

5.52 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.52 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental

1.86 (1)

-

-
Predicted

1.27 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1.86 days

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.27 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

104 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

104

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental

63.1 (1)

-

63.1

Predicted

71.3 (5)

74.0

44.2 to 104

Experimental

Source

Result

PhysPropNCCT

63.1

Predicted

Source

Result

Calculation Details

QMRF

TEST

44.2

Not Available

Not Available

EPISUITE

104

Not Available

Not Available

EPISUITE

47.8

Not Available

Not Available

NICEATM

74.0

Not Available

Available

OPERA

86.5

OPERA Model Report

Available

Found 82 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Chlorothalonil
2,4,5,6-Tetrachlorobenzene-1,3-dicarbonitrile
1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-
1897-45-6 Active CAS-RN
TPN
1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-
1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-
1,3-Dicyanotetrachlorobenzene
2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile
2,4,5,6-Tetrachloro-1,3-dicyanobenzene
2,4,5,6-Tetrachloro-1,3-isophthalonitrile
2,4,5,6-Tetrachloro-3-cyanobenzonitrile
2,4,5,6-Tetrachloroisophthalonitrile
Agronil PI 231
BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,
Bravo Ultrex
Bravonil
Bravonil Ultrex
Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]
clorotalonil
Clortosip
Clortosip 500SC
Clortosip L
Daconil
Daconil 1000
Daconil 2787
Daconil 2787WP
Daconil 500
Daconil F
Daconil M
Dacosoil
Forturf
Fungitrol 404D
Isophthalonitrile, tetrachloro-
Kabiguard 164SA
Marincide C
Microban Additive M 15
Microban M 15
Nopcocide
Nopcocide 54DB
Nopcocide N 54D
Nopcocide N 96
Nuocide 404D
Nuocide 960
Optimist
Tetrachlorobenzene-1,3-dicarbonitrile
Tetrachloroisophthalonitrile
Thalonil
Tuff-Brite
Vanox 500SC
Vanox 750PM
BRN 1978326
Caswell No. 215B
Chloroalonil
Clortocaf ramato
Daconil 2787 W75
Daconil 2787 W-75 Fungicide
Daconil 2787 flowable fungicide
Daconil Flowable
EINECS 217-588-1
EPA Pesticide Chemical Code 081901
Exotherm
Exotherm termil
Isophthalonitrile, 2,4,5,6-tetrachloro-
NCI-C00102
Nopcocide N40D & N96
Nopcocide N-96
Repulse
Terraclactyl
meta-Tetrachlorophthalodinitrile
Clorthalonil
Tetrachlorisoftalonitril
UNII-J718M71A7A FDA Registry Number
m-TCPN
m-Tetrachlorophthalonitrile
meta-TCPN
meta-Tetrachlorophthalodinitrile
101963-73-9 Deleted CAS-RN
216082-57-4 Deleted CAS-RN
342632-51-3 Deleted CAS-RN
37223-69-1 Deleted CAS-RN
462093-27-2 Deleted CAS-RN
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Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

3175th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.59e-07

1.91e-05

Ages 12-19

3.27e-07

2.85e-05

Ages 20-65

2.73e-07

3.59e-05

Ages 65+

2.04e-07

2.17e-05

BMI > 30

2.31e-07

2.69e-05

BMI < 30

2.86e-07

3.79e-05

Repro. Age Females

4.02e-07

5.50e-05

Females

3.66e-07

5.32e-05

Males

1.09e-07

1.44e-05

Total

2.18e-07

2.82e-05

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Executive Summary

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